CID 181450

21279-64-1

Structural Information

Molecular Formula

C₅H₄ClN₃O

SMILES

C1=C(N=CC(=N1)Cl)C(=O)N

InChI

InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10)

InChIKey

GFEFMHWOSWUJSO-UHFFFAOYSA-N

Compound name

5-chloropyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 139
Patents: 157.00429 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.011566	126.7
[M+Na]+	179.993508	136.6
[M-H]-	155.997014	127.6
[M+NH4]+	175.038113	145.3
[M+K]+	195.967448	133.5
[M+H-H2O]+	140.001550	120.4
[M+HCOO]-	202.002491	145.2
[M+CH3COO]-	216.018141	175.7
[M+Na-2H]-	177.978956	134.0
[M]+	157.00374142	126.7
[M]-	157.00483858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe